[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone

C21H23N3O2 — CID 45228574

IUPAC[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)C3CCCN(Cc4ncc[nH]4)C3)ccc2c1
InChIInChI=1S/C21H23N3O2/c1-26-19-7-6-15-11-17(5-4-16(15)12-19)21(25)18-3-2-10-24(13-18)14-20-22-8-9-23-20/h4-9,11-12,18H,2-3,10,13-14H2,1H3,(H,22,23)
InChIKeyAJQLGIVUWISQPO-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.67
Rot. Bonds5

About [1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone

[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone (PubChem CID 45228574) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
PubChem CID45228574
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)C3CCCN(Cc4ncc[nH]4)C3)ccc2c1
InChIInChI=1S/C21H23N3O2/c1-26-19-7-6-15-11-17(5-4-16(15)12-19)21(25)18-3-2-10-24(13-18)14-20-22-8-9-23-20/h4-9,11-12,18H,2-3,10,13-14H2,1H3,(H,22,23)
InChIKeyAJQLGIVUWISQPO-UHFFFAOYSA-N
XLogP3.67
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 30851904
(4-chloro-2-methylphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone
CID 45205723
[(3R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 26318364
N-cyclopropyl-2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]acetamide
CID 56919001
N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide
CID 97115600
(6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 42453744
(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45218080
(3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42564860
1-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 45223114
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344
(3,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
CID 45203336

Frequently Asked Questions

What is the IUPAC name of [1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The IUPAC name of [1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone (CID 45228574) is [1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for [1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for [1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone is COc1ccc2cc(C(=O)C3CCCN(Cc4ncc[nH]4)C3)ccc2c1.
What is the InChIKey of [1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The InChIKey is AJQLGIVUWISQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-19-7-6-15-11-17(5-4-16(15)12-19)21(25)18-3-2-10-24(13-18)14-20-22-8-9-23-20/h4-9,11-12,18H,2-3,10,13-14H2,1H3,(H,22,23).
What are the key properties of [1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone has a molecular weight of 349.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 45228574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).